2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole

C9H9N3S — CID 21365770

IUPAC2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
SMILESCc1nnc(Cc2cccnc2)s1
InChIInChI=1S/C9H9N3S/c1-7-11-12-9(13-7)5-8-3-2-4-10-6-8/h2-4,6H,5H2,1H3
InChIKeyCQGXHSSFHXPHAF-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.83
Rot. Bonds2

About 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole

2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole (PubChem CID 21365770) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
PubChem CID21365770
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
SMILESCc1nnc(Cc2cccnc2)s1
InChIInChI=1S/C9H9N3S/c1-7-11-12-9(13-7)5-8-3-2-4-10-6-8/h2-4,6H,5H2,1H3
InChIKeyCQGXHSSFHXPHAF-UHFFFAOYSA-N
XLogP1.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylphenyl)methyl]-5-methyl-1,3,4-thiadiazole
CID 70889353
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
methyl 4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxylate
CID 115327961
3-ethylpyridine
CID 10823
1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 39733189
N-[5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide;N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-ylacetamide
CID 144630713
5-(pyridin-3-ylmethyl)thiophen-2-amine
CID 131279369
5-methyl-N-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 2725837
N,4,5-trimethyl-6-(pyridin-3-ylmethyl)pyridazin-3-amine
CID 113447071
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 46997748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole (CID 21365770) is 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole is Cc1nnc(Cc2cccnc2)s1.
What is the InChIKey of 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole?
The InChIKey is CQGXHSSFHXPHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-7-11-12-9(13-7)5-8-3-2-4-10-6-8/h2-4,6H,5H2,1H3.
What are the key properties of 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole?
2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole has a molecular weight of 191.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 21365770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).